Geometry & MOs

Info

ID:	203948
PubChem CID:	79892846
Reduced:	SN3O3C12H15 (1)
Stoich.:	AB3C3D12E15 (1)
Weight, g/mol:	268.057195
ΔH_f, kcal/mol:	-84.95
Dipole, Da:	4.8
IP(EA), eV:	-8.14(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(trifluoromethyl)pyrazol-1-yl]-1,3-benzoxazol-6-amine

Drug info:

PubChemData

Smile

CC1(CCS(=O)(=O)C1)NC2=NC3=C(C=CC=C3O2)N

DOS

IR

Vibrations